2-Methylidene-3-phenylbutanal
TL;DR: 2-Methylidene-3-phenylbutanal (CAS 80691-79-8) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidene-3-phenylbutanal
Also Known As: 2-methylidene-3-phenylbutanal, EINECS 279-531-7, 2-Methylene-3-phenylbutanal, 2-(alpha-Methylbenzyl)acrylaldehyde, 2-(alpha-phenylethyl)acrolein
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.5452 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 274.3154 |
Chemical Identifiers
| CAS Number | 80691-79-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C(=C)C=O |
Product Overview
2-Methylidene-3-phenylbutanal (CAS 80691-79-8), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 2-methylidene-3-phenylbutanal.
Chemical Property Profile of 2-Methylidene-3-phenylbutanal
Property Insights of 2-Methylidene-3-phenylbutanal
The XLogP value of 2.5452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylidene-3-phenylbutanal. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methylidene-3-phenylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylidene-3-phenylbutanal has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methylidene-3-phenylbutanal?
The CAS number of 2-Methylidene-3-phenylbutanal is 80691-79-8.
What is the molecular formula of 2-Methylidene-3-phenylbutanal?
The molecular formula of 2-Methylidene-3-phenylbutanal is C11H12O.
What is the molecular weight of 2-Methylidene-3-phenylbutanal?
The molecular weight of 2-Methylidene-3-phenylbutanal is 160.09 g/mol.
Where can I buy 2-Methylidene-3-phenylbutanal?
You can request a quote for 2-Methylidene-3-phenylbutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylidene-3-phenylbutanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylidene-3-phenylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.